CID 514827

3-pyridinecarbonitrile, 6-(4-acetylphenoxy)-

Structural Information

Molecular Formula
C14H10N2O2
SMILES
CC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N
InChI
InChI=1S/C14H10N2O2/c1-10(17)12-3-5-13(6-4-12)18-14-7-2-11(8-15)9-16-14/h2-7,9H,1H3
InChIKey
FZBSLZXPXHUBEM-UHFFFAOYSA-N
Compound name
6-(4-acetylphenoxy)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.07423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08151 154.4
[M+Na]+ 261.06345 164.7
[M-H]- 237.06695 158.5
[M+NH4]+ 256.10805 168.5
[M+K]+ 277.03739 159.9
[M+H-H2O]+ 221.07149 139.6
[M+HCOO]- 283.07243 173.2
[M+CH3COO]- 297.08808 203.3
[M+Na-2H]- 259.04890 159.0
[M]+ 238.07368 150.6
[M]- 238.07478 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.